SCHEMBL7806469

SCHEMBL7806469

CC(C)(C)Oc1cccc(OC(C)(C)C)c1C=CC(=O)c1ccc(OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.50
PPARA Q07869 2/20 0.45
MAOB P27338 6/20 0.43
MAOA P21397 2/20 0.43
PPARG P37231 2/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7806466 1.00 ABCG2 (0.50) ABCG2PPARAMAOBMAOAPPARG
SCHEMBL7187365 0.91 ABCG2 (0.64) ABCG2PPARAMAOBMAOAKEAP1
SCHEMBL7187361 0.91 ABCG2 (0.64) ABCG2PPARAMAOBMAOAKEAP1
SCHEMBL7184628 0.90 MAOB (0.50) ABCG2PPARAMAOBMAOAMAPT
SCHEMBL7184618 0.90 MAOB (0.50) ABCG2PPARAMAOBMAOAMAPT
SCHEMBL7187237 0.88 ABCG2 (0.47) ABCG2PPARAMAOBMAOAKEAP1
SCHEMBL7186013 0.88 ABCG2 (0.48) ABCG2PPARAMAOBMAOAMAPT
SCHEMBL7187240 0.88 ABCG2 (0.47) ABCG2PPARAMAOBMAOAKEAP1
SCHEMBL7184562 0.88 ABCG2 (0.48) ABCG2PPARAMAOBMAOADPP4
SCHEMBL7180765 0.86 PPARA (0.39) ABCG2PPARAMAOBMAOAPPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed